2-ethyl hexyl 3-mercaptopropionate, 50448-95-8

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Product(s):
50448-95-8 3-Mercaptopropionic acid 2-ethylhexyl ester

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Need This Item for Flavor? You can contact the Chemical Sources Association.
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Product(s):
M1067 2-Ethylhexyl 3-Mercaptopropionate >97.0%(GC)
SDS

Name:	2-ethylhexyl 3-sulfanylpropanoate
CAS Number:	50448-95-8	3D/inchi
ECHA EINECS - REACH Pre-Reg:	256-589-1
FDA UNII:	OW5186THXB
Nikkaji Web:	J383.028D
MDL:	MFCD00087933
XlogP3-AA:	3.50 (est)
Molecular Weight:	218.35974000
Formula:	C11 H22 O2 S
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:flavoring agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1938 2-ethylhexyl 3-mercaptopropionate
FEMA Number:	4588 2-ethylhexyl 3-mercaptopropionate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	50448-95-8 ; 2-ETHYLHEXYL 3-MERCAPTOPROPIONATE

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.96400 to 0.97000 @ 20.00 °C.
Pounds per Gallon - (est).:	8.031 to 8.081
Refractive Index:	1.45800 to 1.46400 @ 20.00 °C.
Boiling Point:	283.00 to 284.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.003000 mmHg @ 25.00 °C. (est)
Flash Point:	299.00 °F. TCC ( 148.33 °C. )
logP (o/w):	4.274 (est)
Soluble in:
	alcohol
	water, 9.606 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

Axsyn

For experimental / research use only.

Propanoic acid,3-mercapto-, 2-ethylhexyl ester

BOC Sciences

For experimental / research use only.

3-Mercaptopropionic acid 2-ethylhexyl ester

BRUNO BOCK

2-Ethylhexyl 3-Mercaptopropionate

Odor: characteristic

Use: 2-Ethylhexyl 3-Mercaptopropionate is produced with 3-Mercaptopropionic Acid from EVANS CHEMETICS as a high purity, distilled quality product which is also suitable for export into countries with warm climate where a longer shelf life at elevated temperatures is required.

Parchem

2-ethylhexyl 3-mercaptopropionate

Santa Cruz Biotechnology

For experimental / research use only.

2-Ethylhexyl 3-mercaptopropionate

Sigma-Aldrich: Aldrich

For experimental / research use only.

2-Ethylhexyl 3-mercaptopropionate

sds

TCI AMERICA

For experimental / research use only.

2-Ethylhexyl 3-Mercaptopropionate >97.0%(GC)

sds

Chemical Sources Association

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavoring agents
Recommendation for 2-ethyl hexyl 3-mercaptopropionate usage levels up to:
	not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 24
Click here to view publication 24
		average usual ppm	average maximum ppm
baked goods:		0.20000	2.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		2.00000	10.00000
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		0.20000	2.00000
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):50448-95-8

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :92640

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

2-ethylhexyl 3-sulfanylpropanoate

Chemidplus:0050448958

References:

	2-ethylhexyl 3-sulfanylpropanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	50448-95-8
Pubchem (cid):	92640
Pubchem (sid):	135116803

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2930.90.9190
ChemSpider:	View
FAO:	2-Ethylhexyl 3-mercaptopropionate

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

not found in nature

Synonyms:

2-	ethyl hexyl 3-mercaptopropanoate
2-	ethyl hexyl beta-mercaptopropionate
2-	ethylhexyl 3-mercaptopropanoate
2-	ethylhexyl 3-mercaptopropionate
2-	ethylhexyl 3-sulfanylpropanoate
2-	ethylhexyl beta-mercaptopropionate
3-	mercaptopropanoic acid 2-ethyl hexyl ester
3-	mercaptopropanoic acid 2-ethylhexyl ester
3-	mercaptopropionic acid 2-ethylhexyl ester
2-	octyl 3-mercaptopropionate
	propanoic acid, 3-mercapto-, 2-ethylhexyl ester
	propanoic acid,3-mercapto-, 2-ethylhexyl ester

Articles:

PubMed:From thioether substituted porphyrins to sulfur linked porphyrin dimers: an unusual SNAr via thiolate displacement?

PubMed:Practical thiol surrogates and protective groups for arylthiols for Suzuki-Miyaura conditions.

Notes:

None found

2-ethyl hexyl 3-mercaptopropionate 2-ethylhexyl 3-mercaptopropionate

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Articles:

2-ethyl hexyl 3-mercaptopropionate
2-ethylhexyl 3-mercaptopropionate